CID 12567700

(2r,3s)-dimethyl oxirane-2,3-dicarboxylate

Structural Information

Molecular Formula

C₆H₈O₅

SMILES

COC(=O)[C@H]1[C@H](O1)C(=O)OC

InChI

InChI=1S/C6H8O5/c1-9-5(7)3-4(11-3)6(8)10-2/h3-4H,1-2H3/t3-,4+

InChIKey

KAGHUYFLGPUYKE-ZXZARUISSA-N

Compound name

dimethyl (2R,3S)-oxirane-2,3-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 160.03717 Da
Monoisotopic Mass: -0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	161.04445	132.6
[M+Na]+	183.02639	143.6
[M+NH4]+	178.07099	139.4
[M+K]+	199.00033	142.7
[M-H]-	159.02989	139.5
[M+Na-2H]-	181.01184	137.7
[M]+	160.03662	136.9
[M]-	160.03772	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe